Anti-infectives are drugs that can either kill an infectious agent or inhibit it from spreading. Anti-infectives include antibiotics and antibacterials, antifungals, antivirals and antiprotozoals.

Antibiotics specifically treat infections caused by bacteria, most commonly used types of antibiotics are: Aminoglycosides, Penicillins, Fluoroquinolones, Cephalosporins, Macrolides, and Tetracyclines. New other approaches such as photodynamic therapy (PDT) and antibacterial peptides have been considered as alternatives to kill bacteria.

The high rates of morbidity and mortality caused by fungal infections are associated with the current limited antifungal arsenal and the high toxicity of the compounds. The most common antifungal targets include fungal RNA synthesis and cell wall and membrane components, though new antifungal targets are being investigated.

Viral infections occur when viruses enter cells in the body and begin reproducing, often causing illness. Viruses are classified as DNA viruses or RNA viruses, RNA viruses include retroviruses, such as HIV, are prone to mutate. The currently available antiviral drugs target 4 main groups of viruses: herpes, hepatitis, HIV and influenza viruses. Drug resistance in the clinical utility of antiviral drugs has raised an urgent need for developing new antiviral drugs.

Antiprotozoal drugs are medicines that treat infections caused by protozoa. Of which, malaria remains a major world health problem following the emergence and spread of Plasmodium falciparum that is resistant to the majority of antimalarial drugs. At present, antimalarial discovery approaches have been studied, such as the discovery of antimalarials from natural sources, chemical modifications of existing antimalarials, the development of hybrid compounds, testing of commercially available drugs that have been approved for human use for other diseases and molecular modelling using virtual screening technology and docking.

References:
[1] Scorzoni L, et al. Front Microbiol. 2017 Jan 23;8:36.
[2] Dehghan Esmatabadi MJ, et al. Cell Mol Biol (Noisy-le-grand). 2017 Feb 28;63(2):40-48.
[3] Raymund R, et al. Mayo Clin Proc. 2011 Oct; 86(10):1009-1026.
[4] Aguiar AC, et al. Mem Inst Oswaldo Cruz. 2012 Nov;107(7):831-45.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
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Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
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JAK/STAT Signaling >
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ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
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Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
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Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
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VD/VDR
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Cap-dependent endonuclease-IN-3

Cap-dependent endonuclease-IN-3 is a potent inhibitor of cap-dependent endonuclease (CEN). Not only can Cap-dependent endonuclease-IN-3 inhibit influenza virus well, but also has lower cytotoxicity, better in vivo agent kinetic properties and in vivo pharmacodynamic properties. Cap-dependent endonuclease-IN-3 has the potential for the research of influenza A and influenza B infection (extracted from patent WO2019141179A1, compound VI-1)[1].

  • CAS Number: 2364589-86-4
  • MF: C29H25F2N3O7S
  • MW: 597.59
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Monoctanoin

Glyceryl 1-monooctanoate is a glycerol monolaurate derivative. Glyceryl 1-monooctanoate is a broad-spectrum antimicrobial, suppresses the growth of pathogenic yeast (Candida albicans and Candida parapsilosis), as well as Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli, Klebsiella pneumoniae) bacteria[1].

  • CAS Number: 502-54-5
  • MF: C11H22O4
  • MW: 218.29000
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methyl salvionolate A

Methyl salvionolate A is a potent inhibitor of HIV-1. Methyl salvionolate A inhibits P24 antigen in HIV-1 infected MT-4 cell with an EC50 of 1.62 μg/ml. Methyl salvionolate A also inhibits HIV-1 reverse transcriptase, protease and integrase with IC50s of 50.58, 10.73 and 7.58 μg/ml, respectively[1].

  • CAS Number: 1015171-69-3
  • MF: C27H24O10
  • MW: 508.474
  • Catalog: HIV
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 824.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 278.2±27.8 °C

Temporin G

Temporin G is an antimicrobial peptide against Legionella pneumophila[1].

  • CAS Number: 188713-78-2
  • MF: C72H116N18O14
  • MW: 1457.80
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SQ609

SQ609 is a lead compound from a library of dipiperidines. SQ609 inhibits more than 90% of intracellular bacterial growth at 4μg/ml and is toxic to these cells. SQ609 displays a potent antitubercular activity [1].

  • CAS Number: 627052-25-9
  • MF: C22H38N2O
  • MW: 346.55
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CHIR-090

CHIR-090 is a potent, slow, tight-binding inhibitor of the LpxC deacetylase. It binds to E. coli LpxC with a Ki of 4.0 nM.

  • CAS Number: 728865-23-4
  • MF: C24H27N3O5
  • MW: 437.488
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ceftibuten hydrate

Ceftibuten (Sch39720) hydrate, an antibiotic, is an orally active cephalosporin, possesses potent activity in vitro against a wide range of gram-negative and certain gram-positive pathogens[1][2].

  • CAS Number: 1346153-47-6
  • MF: C15H16N4O7S2
  • MW: 428.44
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Prulifloxacin

Prulifloxacin(NM441) is an older synthetic antibiotic of the fluoroquinolone drug class.Target: AntibacterialPrulifloxacin prevents bacterial DNA replication, transcription, repair and recombination through inhibition of bacterial DNA gyrase.

  • CAS Number: 123447-62-1
  • MF: C21H20FN3O6S
  • MW: 461.463
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 633.2±65.0 °C at 760 mmHg
  • Melting Point: 211-214°C
  • Flash Point: 336.8±34.3 °C

9-(3-fluoro-2-phosphonylmethoxypropyl)adenine

(2RS)-FPMPA can be used for synthesis of antiretroviral agents against HIV-1 and HIV-2[1].

  • CAS Number: 135295-27-1
  • MF: C9H13FN5O4P
  • MW: 305.20300
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Enterocin

Enterocin, an antibiotic, has static activities against gram-positive and gram-negative bacteria and no activity against fungi and yeast[1].

  • CAS Number: 59678-46-5
  • MF: C22H20O10
  • MW: 444.38800
  • Catalog: Bacterial
  • Density: 1.67 g/cm3
  • Boiling Point: 726.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 257.4ºC

Rifamycin

Rifamycin (Rifamycin SV) belongs to the family of ansamycin antibiotics and has been isolated from the fermentation of A. mediterranei or its mutants. Rifamycin displays a broad spectrum of antibiotic activity against Gram-positive and, to a lesser extent, Gram-negative bacteria[1].

  • CAS Number: 6998-60-3
  • MF: C37H47NO12
  • MW: 697.77
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 300° (dec 140°)
  • Flash Point: N/A

Neuraminidase-IN-10

Neuraminidase-IN-10 is a potent neuraminidase (NA) inhibitor with  anti-influenza activity. Neuraminidase-IN-10 is against H1N1, H5N1, and H5N8 with IC50 values of 2.6 nM, 5.1 nM, and 1.65 nM, respectively[1].

  • CAS Number: 2685786-29-0
  • MF: C26H34N2O5S
  • MW: 486.62
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Emtricitabine Degradant-III

Emtricitabine Degradant-III is a major degradation product of Emtricitabine. Emtricitabine is a potent nucleoside reverse transcriptase inhibitor used for the treatment of HIV infection.

  • CAS Number: 152128-77-3
  • MF: C8H10FN3O4S
  • MW: 263.24600
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LY 215890

LY 215890 ia an orally active antibacterial agent aganist Escherichia coli EC14 and Klebsiella pneumonia X26[1].

  • CAS Number: 153502-35-3
  • MF: C13H12ClN5O5S
  • MW: 385.78300
  • Catalog: Bacterial
  • Density: 2.04g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cefozopran

Cefozopran(SCE 2787) is a fourth-generation cephalosporin.Target: AntibacterialCefozopran is a fourth-generation cephalosporin.

  • CAS Number: 113359-04-9
  • MF: C19H17N9O5S2
  • MW: 515.526
  • Catalog: Bacterial
  • Density: 1.59 g/cm3
  • Boiling Point: N/A
  • Melting Point: >300°C
  • Flash Point: N/A

Azlocillin sodium salt

Azlocillin is an acylampicillin with a broad spectrum against bacteria.Target: AntibacterialAzlocillin (12.5 μg/mL) inhibits over 75% of the isolates of Pseudomonas aeruginosa. Azlocillin (12.5 μg/mL) is also active against indole-negative and -positive Proteus spp., inhibiting 98 and 71%, respectively. Azlocillin is more active than mezlocillin, ticarcillin, and carbenicillin and as active as BLP-1654 against isolates of P. aeruginosa [1]. The acyl side chains of Azlocillin have an ureido-(urea) structurehence the name "ureidopenicillins" or, more specifically, "acylureidopenicillins." In vitro studies against P. aeruginosa demonstrates that piperacillin has activity that is twice that of azlocillin, 4 times that of mezlocillin and ticarcillin, and about 8 times that of carbenicillin. Azlocillin produces elongated bacterial forms with delayed or no lysis in morphologic studies [2].Azlocillin has MICs of 12.5 μg/mL on Pseudomonas aeruginosa. Azlocillin (3.125 μg/mL) results in a reduction in the rate of growth but no bactericidal phase on Pseudomonas aeruginosa. Azlocillin decreases an initial lag phase with increasing drug concentration. At the lower concentration of tobramycin (0.5 μg/ml), the combinations with both the high and the low concentrations of Azlocillin are more effective than the individual components on Pseudomonas aeruginosa [3]. Isolates with derepression of AmpC enzyme are one to two doubling dilutions more resistant to azlocillin than are those in which increased efflux or impermeability is inferred. Those with secondary β-lactamases are mostly (12/14 cases) susceptible to ceftazidime at 4 mg/L, but are amongst the most resistant to Azlocillin (MIC ≥128 mg/L in 10/14 cases) [4].

  • CAS Number: 37091-65-9
  • MF: C20H22N5NaO6S
  • MW: 483.473
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GW779439X

GW779439X is a pyrazolopyridazine identified in an inhibitor of the S. aureus PASTA kinase Stk1. GW779439X potentiates the activity of β-lactam antibiotics against various MRSA and MSSA isolates, some even crossing the breakpoint from resistant to sensitive. GW779439X is an AURKA inhibitor and induces apoptosis by the caspases 3/7 pathway[1][2]. MRSA:methicillin-resistant S. aureus; MSSA: methicillin-sensitive S. aureus

  • CAS Number: 551919-98-3
  • MF: C22H21F3N8
  • MW: 454.451
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hepcidin-20 (human) trifluoroacetate salt

Hepcidin-20 (human) is a histidine-containing, cysteine-rich, β-sheet structured peptide. Hepcidin-20 (human) shows antifungal activity. Hepcidin-20 (human) inhibits biofilm formation and bacterial cell metabolism of polysaccharide intercellular adhesin (PIA)-positive and PIA-negative strains[1][2][3].

  • CAS Number: 342790-23-2
  • MF: C85H135N27O23S9
  • MW: 2191.73
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gramicidin TFA

Gramicidin is an antimicrobial peptide assembling as channels in membranes and increasing their permeability towards cations.

  • CAS Number: 1405-97-6
  • MF: C99H140N20O17
  • MW: 1882.29000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 229-230℃
  • Flash Point: N/A

Celgosivir (hydrochloride)

Celgosivir hydrochloride (MDL 28574A) is an α-glucosidase I inhibitor; inhibits bovine viral diarrhoea virus (BVDV) with an IC50 of 1.27 μM in in vitro assay.

  • CAS Number: 141117-12-6
  • MF: C12H22ClNO5
  • MW: 295.76000
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: 422.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.6ºC

Glycosmisic acid

Glycosmisic acid, a natural compound, possesses anti-HBV activity[1].

  • CAS Number: 443908-19-8
  • MF: C20H20O7
  • MW: 372.37
  • Catalog: HBV
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 576.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 205.3±23.6 °C

(S)-Tedizolid

(S)-Tedizolid is the S-enantiomer of Tedizolid. Tedizolid is a novel oxazolidinone with activity against Gram-positive pathogens. (S)-Tedizolid is the less active isomer.

  • CAS Number: 1431699-67-0
  • MF: C17H15FN6O3
  • MW: 370.338
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 614.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 325.4±34.3 °C

Penamecillin

Penamecillin (Wy 20788) an acetoxymethyl ester of Penicillin G (HY-N7139). Penamecillin is an orally active antibacterial agent[1][2].

  • CAS Number: 983-85-7
  • MF: C19H22N2O6S
  • MW: 406.45300
  • Catalog: Bacterial
  • Density: 1.37g/cm3
  • Boiling Point: 648.8ºC at 760mmHg
  • Melting Point: 106-108ºC
  • Flash Point: 346.2ºC

Carboxin

Carboxin (Carboxine) is a systemic agricultural fungicide and seed protectant.

  • CAS Number: 5234-68-4
  • MF: C12H13NO2S
  • MW: 235.302
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 420.6±45.0 °C at 760 mmHg
  • Melting Point: 91.1-91.7°C
  • Flash Point: 208.2±28.7 °C

ECKOL

Eckol is a potent hMAO-A (Mixed) and hMAO-B (non-competitive) inhibitor with IC50s of 7.20 and 83.44 μM, respectively. Eckol shows stimulatory effects in maize and can be used as a plant biostimulant. Eckol also shows antiallergic and antiviral effects[1][2][3][4].

  • CAS Number: 88798-74-7
  • MF: C18H12O9
  • MW: 372.28200
  • Catalog: Influenza Virus
  • Density: 1.778g/cm3
  • Boiling Point: 685.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 368.4ºC

Bryostatin 1

Bryostatin 1 is a natural macrolide isolated from the bryozoan Bugula neritina and is a potent and central nervous system (CNS)-permeable PKC modulator. Bryostatin 1 binds to the isolated C1 domain of Munc13-1 and the full-length Munc13-1 protein with Kis of 8.07 nM and 0.45 nM, respectively. Bryostatin 1 has anti-cancer, anti-inflammatory, neuroprotective, anti-HIV-1 infection properties[1][2][3][4].

  • CAS Number: 83314-01-6
  • MF: C47H68O17
  • MW: 905.033
  • Catalog: HIV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 954.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 270.0±27.8 °C

Zevotrelvir

Zevotrelvir (Compound 52) is a coronavirus inhibitor with IC50 ranges of <0.1 μM and <0.1mM for 229E hCoV and SARS-CoV-23C-like (3CL) proteases, respectively. Zevotrelvir has the potential to study viral infections[1].

  • CAS Number: 2773516-53-1
  • MF: C28H26F3N5O3
  • MW: 537.53
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aztreonam (lysine)

Aztreonam (lysine) is a monocyclic beta-lactam antibiotic, and has a very high affinity for penicillin-binding protein 3 (PBP-3). Aztreonam (lysine) is active against Gram-negative aerobic bacteria[1][2].

  • CAS Number: 827611-49-4
  • MF: C19H31N7O10S2
  • MW: 581.62000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Benzoyleneurea

Benzoyleneurea possesses anti-bacterial activity. Benzoyleneurea scaffold can be used in the synthesis of novel protein geranylgeranyltransferase-I (PGGTase-I) inhibitors[1].

  • CAS Number: 86-96-4
  • MF: C8H6N2O2
  • MW: 162.145
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 491.9ºC at 760 mmHg
  • Melting Point: 300 °C(lit.)
  • Flash Point: N/A

Panipenem

Panipenem (PAPM; CS533; RS533) is a carbapenem antibiotic with broad spectrum and potent activity against both Gram-positive and Gram-negative bacteria[1].

  • CAS Number: 87726-17-8
  • MF: C15H21N3O4S
  • MW: 339.410
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 555.5±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 289.7±32.9 °C